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Isobutylbenzene

Product Name
Isobutylbenzene
CAS No.
538-93-2
Chemical Name
Isobutylbenzene
Synonyms
2-METHYL-1-PHENYLPROPANE;Benzene,(2-methylpropyl)-;i-Butylbenzene;2-Benzylpropane;isobutyl-benzen;ISOBUTYLBENZENE;1-PHENYLISOBUTANE;1-ISOBUTYLBENZENE;ISOBUYTEL BENZENE;Benzene, isobutyl-
CBNumber
CB0328155
Molecular Formula
C10H14
Formula Weight
134.22
MOL File
538-93-2.mol
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Isobutylbenzene Property

Melting point:
-51 °C (lit.)
Boiling point:
170 °C/736 mmHg (lit.)
Density 
0.853 g/mL at 25 °C (lit.)
vapor pressure 
4.2 mm Hg ( 37.7 °C)
refractive index 
n20/D 1.486(lit.)
Flash point:
131 °F
storage temp. 
Flammables area
solubility 
Insoluble in water, soluble in ethanol, ether, benzene and acetone.
pka
>14 (Schwarzenbach et al., 1993)
color 
Colorless to Almost colorless
explosive limit
0.8-6%(V)
Water Solubility 
0.01g/l
Merck 
14,5134
BRN 
1852218
Henry's Law Constant
(x 10-2 atm?m3/mol): 1.09 at 25 °C (Hine and Mookerjee, 1975)
Dielectric constant
2.3(Ambient)
InChIKey
KXUHSQYYJYAXGZ-UHFFFAOYSA-N
LogP
4.8 at 23℃ and pH6
CAS DataBase Reference
538-93-2(CAS DataBase Reference)
NIST Chemistry Reference
Benzene, (2-methylpropyl)-(538-93-2)
EPA Substance Registry System
Isobutylbenzene (538-93-2)
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Safety

Hazard Codes 
Xi,N
Risk Statements 
10-36/37/38-50/53
Safety Statements 
26-36-61-60
RIDADR 
UN 3295 3/PG 3
WGK Germany 
3
RTECS 
DA3550000
Autoignition Temperature
802 °F
HazardClass 
3
PackingGroup 
III
HS Code 
29029000
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H226Flammable liquid and vapour

H315Causes skin irritation

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P302+P352IF ON SKIN: wash with plenty of soap and water.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
113166
Product name
Isobutylbenzene
Purity
99%
Packaging
100ml
Price
$87.2
Updated
2024/03/01
Sigma-Aldrich
Product number
113166
Product name
Isobutylbenzene
Purity
99%
Packaging
500ml
Price
$345
Updated
2024/03/01
TCI Chemical
Product number
I0097
Product name
Isobutylbenzene
Purity
>99.0%(GC)
Packaging
25mL
Price
$33
Updated
2024/03/01
TCI Chemical
Product number
I0097
Product name
Isobutylbenzene
Purity
>99.0%(GC)
Packaging
500mL
Price
$155
Updated
2024/03/01
TRC
Product number
B692695
Product name
iso-Butylbenzene
Packaging
10g
Price
$150
Updated
2021/12/16
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Isobutylbenzene Chemical Properties,Usage,Production

Chemical Properties

Isobutyl Benzene is an organic, aromatic, neutral and colourless liquid that has a specific gravity of around 0.852. Less dense than water and insoluble in water, soluble in ethanol, ether, benzene and acetone. Vapors heavier than air.

Physical properties

Clear, colorless, liquid with an odor resembling butylbenzene, tert-butylbenzene, ethylbenzene, or toluene. An odor threshold concentration of 80 μg/kg was reported (quoted, Verschueren, 1983)

Uses

Isobutylbenzene is used as an intermediate for perfumery and analgesic anti-inflammatory (Ibuprofen). It is also used as an internal standard in the study of increased pigmentation and floral scent levels in Pap1-transgenic petunia.

Definition

ChEBI: Isobutylbenzene is an alkylbenzene that is benzene carrying an isobutyl substituent.

Preparation

Isobutylbenzene synthesis: Isobutyrophenone, underwent a Wolff–Kishner reduction using hydrazine hydrate and strong base conditions to synthesize isobutyl benzene. The solvent for this reaction was replaced with the more sustainable solvent glycerol. The glycerol for this reaction was obtained from the synthesis of biodiesel. The reaction was allowed to heat at reflux (149–155 °C) for a period of three hours. An average 51 % yield of isobutyl benzene was obtained from the solar synthesis, compared to a 55 % yield from an in-lab, electrical heating analysis.

Synthesis Reference(s)

Journal of the American Chemical Society, 73, p. 4343, 1951 DOI: 10.1021/ja01153a092
Synthetic Communications, 26, p. 763, 1996 DOI: 10.1080/00397919608086751
Tetrahedron Letters, 27, p. 6369, 1986 DOI: 10.1016/S0040-4039(00)87811-9

General Description

Isobutylbenzene is synthesized by the isopropylation at the side chain over Na, K and Cs exchanged zeolites.

Hazard

Moderate fire risk. Toxic in high concentration, a skin and eye irritant.

Environmental Fate

Biological. Oxidation of isobutylbenzene by Pseudomonas desmolytica S44B1 and Pseudomonas convexa S107B1 yielded 3-isobutylcatechol and (+)-2-hydroxy-8-methyl-6-oxononanoic acid (Jigami et al., 1975).
Chemical/Physical. Complete combustion in air yields carbon dioxide and water vapor. Isobutylbenzene will not hydrolyze because it has no hydrolyzable functional group.

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Isobutylbenzene Suppliers

Shanghai Kaisai Chemical Co., Ltd
Tel
021-33516722 13701817765
Fax
021-33516776
Email
kaisaichem@163.com
Country
China
ProdList
4741
Advantage
58
3B Pharmachem (Wuhan) International Co.,Ltd.
Tel
821-50328103-801 18930552037
Fax
86-21-50328109
Email
3bsc@sina.com
Country
China
ProdList
15839
Advantage
69
TCI (Shanghai) Development Co., Ltd.
Tel
021-67121386
Fax
021-67121385
Email
Sales-CN@TCIchemicals.com
Country
China
ProdList
24529
Advantage
81
Energy Chemical
Tel
021-021-58432009 400-005-6266
Fax
021-58436166
Email
sales8178@energy-chemical.com
Country
China
ProdList
44689
Advantage
61
Shanghai Hanhong Scientific Co.,Ltd.
Tel
021-54306202 13764082696
Email
info@hanhongsci.com
Country
China
ProdList
42958
Advantage
64
Shandong Xiya Chemical Co., Ltd
Tel
4009903999 13355009207
Fax
0539-6365991
Email
3007715519@qq.com
Country
China
ProdList
18738
Advantage
57
Syntechem Co.,Ltd
Tel
Fax
E-Mail Inquiry
Email
info@syntechem.com
Country
China
ProdList
12984
Advantage
57
Sichuan Kulinan Technology Co., Ltd
Tel
400-1166-196 18981987031
Fax
028-84555506 800101999
Email
cdhxsj@163.com
Country
China
ProdList
11707
Advantage
57
Tianjin heowns Biochemical Technology Co., Ltd.
Tel
400 638 7771
Email
sales@heowns.com
Country
China
ProdList
14435
Advantage
57
Sinopharm Chemical Reagent Co,Ltd.
Tel
86-21-63210123
Fax
86-21-63290778 86-21-63218885
Email
sj_scrc@sinopharm.com
Country
China
ProdList
9815
Advantage
79
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View Lastest Price from Isobutylbenzene manufacturers

Hebei Weibang Biotechnology Co., Ltd
Product
Isobutylbenzene 538-93-2
Price
US $10.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
100 mt
Release date
2021-08-17
Hebei Mojin Biotechnology Co., Ltd
Product
Isobutylbenzene 538-93-2
Price
US $0.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
50000KG/month
Release date
2023-06-26
Hebei Zhanyao Biotechnology Co. Ltd
Product
Isobutylbenzene 538-93-2
Price
US $10.00/Kg/Bag
Min. Order
1Kg/Bag
Purity
99%
Supply Ability
20 Tons
Release date
2021-11-15

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